[4-(4-methyl-1,3-thiazol-2-yl)phenyl] azepane-1-sulfonate

Systemtic Name: [4-(4-methyl-1,3-thiazol-2-yl)phenyl] azepane-1-sulfonate Openeye Name: [4-(4-methylthiazol-2-yl)phenyl] azepane-1-sulfonate CAS Name: 1-azepanesulfonic acid [4-(4-methyl-2-thiazolyl)phenyl] ester IUPAC Name: [4-(4-methyl-1,3-thiazol-2-yl)phenyl] azepane-1-sulfonate Traditional Name: azepane-1-sulfonic acid [4-(4-methylthiazol-2-yl)phenyl] ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=CC=C(C=C2)OS(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CSC(=N1)C2=CC=C(C=C2)OS(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H20N2O3S2/c1-13-12-22-16(17-13)14-6-8-15(9-7-14)21-23(19,20)18-10-4-2-3-5-11-18/h6-9,12H,2-5,10-11H2,1H3